@MOLECULE 6-hydroxy-1-methyl-5,12-dioxo-5,12-dihydrobenzo[h]chromeno[5,4,3-cde]chromen-10-yl 6-deoxy-2-o-(6-deoxy-alpha-d-galactopyranosyl)-beta-d-galactopyranoside 75 81 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.1593 -0.3660 -0.0257 O.3 1 UNL1 -0.4769 2 O 0.6543 -1.7224 2.1597 O.3 1 UNL1 -0.4569 3 O 4.1876 1.6370 -0.5259 O.3 1 UNL1 -0.3937 4 O 0.5430 -1.2838 -0.0430 O.3 1 UNL1 -0.3508 5 O 3.8778 0.8649 2.5632 O.3 1 UNL1 -0.5123 6 O 1.3367 0.5940 3.6597 O.3 1 UNL1 -0.5332 7 O 2.5385 -0.8293 -2.6578 O.3 1 UNL1 -0.5569 8 O 5.3270 -1.1199 -3.3739 O.3 1 UNL1 -0.5746 9 O 6.1746 1.3191 -2.6038 O.3 1 UNL1 -0.5370 10 O -1.0847 0.5393 0.2072 O.2 1 UNL1 -0.3212 11 O -5.9748 1.2006 -0.7598 O.2 1 UNL1 -0.3663 12 O -5.1892 -2.8752 -1.0645 O.3 1 UNL1 -0.3984 13 O -6.8109 -0.7707 -1.0720 O.2 1 UNL1 -0.3765 14 O -0.3064 2.4794 0.7373 O.2 1 UNL1 -0.4461 15 C 2.3057 -0.2584 1.0845 C.3 1 UNL1 0.0204 16 C 3.1494 -0.3120 2.3754 C.3 1 UNL1 0.0599 17 C 2.1890 -0.5194 3.5720 C.3 1 UNL1 0.0304 18 C 3.1973 0.7479 -0.9100 C.3 1 UNL1 0.2730 19 C 1.4544 -1.5501 1.0104 C.3 1 UNL1 0.2716 20 C 3.5346 0.0811 -2.2644 C.3 1 UNL1 0.0406 21 C 1.3880 -1.8217 3.3769 C.3 1 UNL1 0.0941 22 C 4.8708 -0.6631 -2.1138 C.3 1 UNL1 0.0561 23 C 5.9512 0.3257 -1.6250 C.3 1 UNL1 0.0591 24 C 5.4825 1.0586 -0.3478 C.3 1 UNL1 0.1203 25 C 0.3112 -1.9984 4.4362 C.3 1 UNL1 -0.4599 26 C 6.3667 2.2551 -0.0281 C.3 1 UNL1 -0.4560 27 C -0.4539 -2.2030 -0.1966 C.ar 1 UNL1 0.2736 28 C -1.7689 -1.6737 -0.3111 C.ar 1 UNL1 -0.0516 29 C -2.0956 -0.2927 -0.1470 C.ar 1 UNL1 0.2123 30 C -2.8141 -2.5751 -0.6145 C.ar 1 UNL1 -0.0596 31 C -3.3815 0.1626 -0.3327 C.ar 1 UNL1 -0.0740 32 C -0.1856 -3.5484 -0.3473 C.ar 1 UNL1 -0.2500 33 C -4.4433 -0.7239 -0.6532 C.ar 1 UNL1 -0.2336 34 C -3.6504 1.5666 -0.2328 C.ar 1 UNL1 -0.0473 35 C -4.1532 -2.0680 -0.7757 C.ar 1 UNL1 0.3055 36 C -2.6197 2.4655 0.0740 C.ar 1 UNL1 -0.1704 37 C -2.5315 -3.9529 -0.7611 C.ar 1 UNL1 -0.1932 38 C -1.2457 -4.4280 -0.6308 C.ar 1 UNL1 -0.0772 39 C -4.9430 2.0328 -0.4771 C.ar 1 UNL1 0.2120 40 C -5.7903 -0.1891 -0.8421 C.ar 1 UNL1 0.6107 41 C -1.2990 1.9118 0.3614 C.ar 1 UNL1 0.6022 42 C -2.8869 3.8397 0.1015 C.ar 1 UNL1 0.0909 43 C -5.2266 3.4014 -0.4415 C.ar 1 UNL1 -0.1537 44 C -4.1929 4.2857 -0.1587 C.ar 1 UNL1 -0.1671 45 C -1.8113 4.8201 0.3927 C.3 1 UNL1 -0.4626 46 H 1.6702 0.6572 1.0360 H 1 UNL1 0.1755 47 H 3.9433 -1.0887 2.3162 H 1 UNL1 0.1577 48 H 2.7347 -0.4973 4.5404 H 1 UNL1 0.1658 49 H 2.2617 1.3444 -0.9000 H 1 UNL1 0.1569 50 H 2.0388 -2.4677 0.8033 H 1 UNL1 0.1252 51 H 3.5702 0.8335 -3.0859 H 1 UNL1 0.1739 52 H 2.0585 -2.7068 3.3183 H 1 UNL1 0.1224 53 H 4.7779 -1.5486 -1.4493 H 1 UNL1 0.1426 54 H 6.9187 -0.1961 -1.4534 H 1 UNL1 0.1332 55 H 5.4163 0.3488 0.5099 H 1 UNL1 0.1439 56 H 0.7291 -2.3660 5.3795 H 1 UNL1 0.1546 57 H -0.2072 -1.0498 4.6476 H 1 UNL1 0.1768 58 H -0.4567 -2.7103 4.1018 H 1 UNL1 0.1655 59 H 7.4073 1.9550 0.1236 H 1 UNL1 0.1492 60 H 6.3476 2.9844 -0.8530 H 1 UNL1 0.1782 61 H 6.0157 2.7701 0.8752 H 1 UNL1 0.1580 62 H 3.2634 1.6295 2.6805 H 1 UNL1 0.3331 63 H 0.6728 0.5820 2.9293 H 1 UNL1 0.3352 64 H 2.0278 -1.1465 -1.8778 H 1 UNL1 0.3396 65 H 4.5690 -1.4799 -3.8878 H 1 UNL1 0.3414 66 H 6.2187 0.8909 -3.4903 H 1 UNL1 0.3305 67 H 0.8279 -3.9334 -0.2617 H 1 UNL1 0.1705 68 H -3.3395 -4.6498 -0.9822 H 1 UNL1 0.1485 69 H -1.0322 -5.4910 -0.7514 H 1 UNL1 0.1572 70 H -6.2396 3.7527 -0.6365 H 1 UNL1 0.1788 71 H -4.4011 5.3560 -0.1354 H 1 UNL1 0.1641 72 H -4.9244 -3.8312 -1.1542 H 1 UNL1 0.3257 73 H -1.3398 4.6278 1.3736 H 1 UNL1 0.1848 74 H -0.9932 4.7522 -0.3461 H 1 UNL1 0.1806 75 H -2.1592 5.8602 0.3985 H 1 UNL1 0.1544 @BOND 1 65 8 1 2 66 9 1 3 8 22 1 4 51 20 1 5 7 20 1 6 7 64 1 7 9 23 1 8 20 22 1 9 20 18 1 10 22 23 1 11 22 53 1 12 23 54 1 13 23 24 1 14 72 12 1 15 13 40 2 16 12 35 1 17 68 37 1 18 18 49 1 19 18 3 1 20 18 1 1 21 60 26 1 22 40 11 ar 23 40 33 ar 24 35 33 ar 25 35 30 ar 26 37 38 ar 27 37 30 ar 28 11 39 ar 29 69 38 1 30 33 31 ar 31 70 43 1 32 38 32 ar 33 30 28 ar 34 3 24 1 35 39 43 ar 36 39 34 ar 37 43 44 ar 38 24 26 1 39 24 55 1 40 32 67 1 41 32 27 ar 42 74 45 1 43 31 34 ar 44 31 29 ar 45 28 27 ar 46 28 29 ar 47 34 36 ar 48 27 4 1 49 44 71 1 50 44 42 ar 51 29 10 ar 52 4 19 1 53 26 59 1 54 26 61 1 55 1 15 1 56 36 42 ar 57 36 41 ar 58 42 45 1 59 10 41 ar 60 41 14 2 61 45 75 1 62 45 73 1 63 50 19 1 64 19 15 1 65 19 2 1 66 46 15 1 67 15 16 1 68 2 21 1 69 47 16 1 70 16 5 1 71 16 17 1 72 5 62 1 73 63 6 1 74 52 21 1 75 21 17 1 76 21 25 1 77 17 6 1 78 17 48 1 79 58 25 1 80 25 57 1 81 25 56 1